6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H21N9O2 — CID 165415349

IUPAC6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C22H21N9O2/c1-22(2,21-31-30-20(33-21)14-4-3-7-23-8-14)29-19(32)17-18(27-15-9-24-12-25-10-15)26-11-16(28-17)13-5-6-13/h3-4,7-13H,5-6H2,1-2H3,(H,26,27)(H,29,32)
InChIKeyGBTSQPGULOOWRN-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.00
Rot. Bonds7

About 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415349) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415349
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C22H21N9O2/c1-22(2,21-31-30-20(33-21)14-4-3-7-23-8-14)29-19(32)17-18(27-15-9-24-12-25-10-15)26-11-16(28-17)13-5-6-13/h3-4,7-13H,5-6H2,1-2H3,(H,26,27)(H,29,32)
InChIKeyGBTSQPGULOOWRN-UHFFFAOYSA-N
XLogP3.00
TPSA144.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330055
3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
CID 118288357
6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548359
Methyl 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate
CID 165415374
4-N-(cyclopropylmethyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 44589760
[5-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrimidin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 59471834
5-(6-Morpholino-3-pyridyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 59471946
4-[5-amino-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472191
US20260028365, Example 717
CID 170731224
US20260028365, Example 168
CID 175990628
5-(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 59471763

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415349) is 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)c1nnc(-c2cccnc2)o1.
What is the InChIKey of 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GBTSQPGULOOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-22(2,21-31-30-20(33-21)14-4-3-7-23-8-14)29-19(32)17-18(27-15-9-24-12-25-10-15)26-11-16(28-17)13-5-6-13/h3-4,7-13H,5-6H2,1-2H3,(H,26,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).